UCSF

ZINC37823640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.30 -1.12 -38.51 5 6 1 94 271.385 6
Hi High (pH 8-9.5) 0.30 -1.48 -10.43 4 6 0 93 270.377 6
Mid Mid (pH 6-8) 0.30 1.11 -99.17 6 6 2 95 272.393 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )